1-(prop-2-en-1-yl)cyclohexan-1-ol

• ChemBase ID: 295531
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: C=CCC1(CCCCC1)O
• Canonical SMILES: C=CCC1(O)CCCCC1
• InChI: InChI=1S/C9H16O/c1-2-6-9(10)7-4-3-5-8-9/h2,10H,1,3-8H2
• InChIKey: ZSLKGUQYEQVKQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 1-(prop-2-en-1-yl)cyclohexan-1-ol
• Synonyms: 1-Allylcyclohexanol; 1-烯丙基环己醇

Database IDs

• CAS Number: 1123-34-8
• MDL Number: MFCD00021403
• PubChem SID: 180681062
• PubChem CID: 79145

CALCULATED PROPERTIES

• Polarizability: 16.964273 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 19.76272
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2243729
• LogD (pH = 7.4): 2.224373
• Log P: 2.224373
• Molar Refractivity: 43.0828 cm^3

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%